diethyl (4R,5R)-2-methoxy-2-methyl-1,3-dioxolane-4,5-dicarboxylate

C11H18O7 — CID 14972311

IUPACdiethyl (4R,5R)-2-methoxy-2-methyl-1,3-dioxolane-4,5-dicarboxylate
SMILESCCOC(=O)[C@@H]1OC(C)(OC)O[C@H]1C(=O)OCC
InChIInChI=1S/C11H18O7/c1-5-15-9(12)7-8(10(13)16-6-2)18-11(3,14-4)17-7/h7-8H,5-6H2,1-4H3/t7-,8-/m1/s1
InChIKeyBTWRRLKRALIAAU-HTQZYQBOSA-N
MW262.26 g/mol
LogP0.22
Rot. Bonds5

About diethyl (4R,5R)-2-methoxy-2-methyl-1,3-dioxolane-4,5-dicarboxylate

diethyl (4R,5R)-2-methoxy-2-methyl-1,3-dioxolane-4,5-dicarboxylate (PubChem CID 14972311) has the molecular formula C11H18O7 and a molecular weight of 262.26 g/mol. Its IUPAC name is diethyl (4R,5R)-2-methoxy-2-methyl-1,3-dioxolane-4,5-dicarboxylate.

Molecular Properties

Compound Namediethyl (4R,5R)-2-methoxy-2-methyl-1,3-dioxolane-4,5-dicarboxylate
PubChem CID14972311
Molecular FormulaC11H18O7
Molecular Weight262.26 g/mol
Exact Mass262.11
IUPAC Namediethyl (4R,5R)-2-methoxy-2-methyl-1,3-dioxolane-4,5-dicarboxylate
SMILESCCOC(=O)[C@@H]1OC(C)(OC)O[C@H]1C(=O)OCC
InChIInChI=1S/C11H18O7/c1-5-15-9(12)7-8(10(13)16-6-2)18-11(3,14-4)17-7/h7-8H,5-6H2,1-4H3/t7-,8-/m1/s1
InChIKeyBTWRRLKRALIAAU-HTQZYQBOSA-N
XLogP0.22
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl (4R,5S)-2-methoxy-2-methyl-5-phenyl-1,3-dioxolane-4-carboxylate
CID 10563681
diethyl (4R,5R)-2-(bromomethyl)-2-methyl-1,3-dioxolane-4,5-dicarboxylate
CID 10782268
diethyl (2S,3S)-oxirane-2,3-dicarboxylate
CID 7021072
ethyl (4R,5S)-5-ethynyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 162400717
diethyl (4S,5S)-1,3-dioxolane-4,5-dicarboxylate
CID 6941512
(4R,5R)-2-ethoxy-2-methyl-1,3-dioxolane-4,5-dicarboxylic acid
CID 45093859
CID 131848895
CID 131848895
trans-ethyl (1R,3R)-3-[(2R)-3,3-dimethyloxiran-2-yl]-2,2-dimethylcyclopropane-1-carboxylate
CID 134865011
ethyl (4S,5R)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 11653401
diethyl (4S,5S)-2-propan-2-yl-1,3-dioxolane-4,5-dicarboxylate
CID 22852087
ethyl (1R)-2,2-dimethylcyclopropane-1-carboxylate
CID 11378554
2-O-ethyl 4-O-methyl (2R,3S,4R)-3-methyl-5-oxooxolane-2,4-dicarboxylate
CID 139247556

Frequently Asked Questions

What is the IUPAC name of diethyl (4R,5R)-2-methoxy-2-methyl-1,3-dioxolane-4,5-dicarboxylate?
The IUPAC name of diethyl (4R,5R)-2-methoxy-2-methyl-1,3-dioxolane-4,5-dicarboxylate (CID 14972311) is diethyl (4R,5R)-2-methoxy-2-methyl-1,3-dioxolane-4,5-dicarboxylate.
What is the SMILES notation for diethyl (4R,5R)-2-methoxy-2-methyl-1,3-dioxolane-4,5-dicarboxylate?
The canonical SMILES for diethyl (4R,5R)-2-methoxy-2-methyl-1,3-dioxolane-4,5-dicarboxylate is CCOC(=O)[C@@H]1OC(C)(OC)O[C@H]1C(=O)OCC.
What is the InChIKey of diethyl (4R,5R)-2-methoxy-2-methyl-1,3-dioxolane-4,5-dicarboxylate?
The InChIKey is BTWRRLKRALIAAU-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H18O7/c1-5-15-9(12)7-8(10(13)16-6-2)18-11(3,14-4)17-7/h7-8H,5-6H2,1-4H3/t7-,8-/m1/s1.
What are the key properties of diethyl (4R,5R)-2-methoxy-2-methyl-1,3-dioxolane-4,5-dicarboxylate?
diethyl (4R,5R)-2-methoxy-2-methyl-1,3-dioxolane-4,5-dicarboxylate has a molecular weight of 262.26 g/mol, XLogP of 0.22, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (4R,5R)-2-methoxy-2-methyl-1,3-dioxolane-4,5-dicarboxylate is sourced from PubChem (CID 14972311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).